UCSF

ZINC31570416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 10.39 -42.84 1 5 1 43 397.539 9
Mid Mid (pH 6-8) 3.75 10.07 -43.93 1 5 1 43 397.539 9
Mid Mid (pH 6-8) 3.75 8.14 -8.31 0 5 0 42 396.531 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )